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2-[6-Amino-8-(2,5-dimethoxyphenyl)sulfanylpurin-9-yl]-1-(2,4-dichlorophenyl)ethanol

HCID 24896129
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(OC)c(Sc2nc3c(N)ncnc3n2CC(O)c2ccc(Cl)cc2Cl)c1
InChIKey
DFZCKVJEBRWYFH-UHFFFAOYSA-N
Molecular formula
C21H19Cl2N5O3S
Average molar mass
492.4 g/mol

Names & identifiers

Preferred name
2-[6-Amino-8-(2,5-dimethoxyphenyl)sulfanylpurin-9-yl]-1-(2,4-dichlorophenyl)ethanol
IUPAC
2-[6-amino-8-(2,5-dimethoxyphenyl)sulfanylpurin-9-yl]-1-(2,4-dichlorophenyl)ethanol

Names & synonyms

SCHEMBL3121737

Database identifiers

PubChem CID
24896129

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
614

Related reactions

1 records
New reaction record
HRID 2336381 reaction equation
HRID 2336381As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes